4-(triethoxysilyl)butanenitrile

• ChemBase ID: 146346
• Molecular Formular: C10H21NO3Si
• Molecular Mass: 231.36414
• Monoisotopic Mass: 231.12907007
• SMILES: CCO[Si](CCCC#N)(OCC)OCC
• Canonical SMILES: CCO[Si](OCC)(OCC)CCCC#N
• InChI: InChI=1S/C10H21NO3Si/c1-4-12-15(13-5-2,14-6-3)10-8-7-9-11/h4-8,10H2,1-3H3
• InChIKey: VGIURMCNTDVGJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(triethoxysilyl)butanenitrile
• IUPAC Traditional name: 4-(triethoxysilyl)butanenitrile
• Synonyms: 4-(Triethoxysilyl)butyronitrile; 3-Cyanopropyltriethoxysilane; (3-Cyanopropyl)triethoxysilane; 4-(三乙氧基硅)丁腈; 3-氰丙基三乙氧基硅; (3-氰丙基)三乙氧基硅烷

Database IDs

• CAS Number: 1067-47-6
• EC Number: 213-931-4
• MDL Number: MFCD00042636
• Beilstein Number: 1942237
• PubChem SID: 24863284; 162240544
• PubChem CID: 14024

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.4412
• LogD (pH = 7.4): 1.4412
• Log P: 1.4412
• Molar Refractivity: 55.3539 cm^3
• Polarizability: 24.037977 Å^3
• Polar Surface Area: 51.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 100-101 °C/6 mmHg(lit.); 238-241°C
• Flash Point: 208.4 °F; 74°C(165°F); 98 °C
• Density: 0.961; 0.966 g/mL at 25 °C(lit.)
• Refractive Index: 1.4170; n20/D 1.417(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV2785000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/38
• Safety Statements: 23-26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 98%
• Linear Formula: (C2H5O)3Si(CH2)3CN

DETAILS

Sigma Aldrich - 374156

Packaging
25, 100 g in poly bottle